(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride

C6H13ClN2O2 — CID 10442310

IUPAC(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride
SMILESCC(=O)/C(CN(C)C)=N\O.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-5(9)6(7-10)4-8(2)3;/h10H,4H2,1-3H3;1H/b7-6-;
InChIKeyOSLZTCJHQUDKNL-NAFXZHHSSA-N
MW180.63 g/mol
LogP0.39
Rot. Bonds3

About (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride

(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride (PubChem CID 10442310) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride.

Molecular Properties

Compound Name(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride
PubChem CID10442310
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride
SMILESCC(=O)/C(CN(C)C)=N\O.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-5(9)6(7-10)4-8(2)3;/h10H,4H2,1-3H3;1H/b7-6-;
InChIKeyOSLZTCJHQUDKNL-NAFXZHHSSA-N
XLogP0.39
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isonitrozine
CID 9570331
Ammonium, diethyl(2-hydroxyimino-3-oxobutyl)methyl-, iodide
CID 9570802
(3Z)-4-(dimethylamino)-3-(hydroxyimino)butan-2-one
CID 6939034
2-Butanone, 4-diethylamino-3-hydroxyimino-
CID 57350546
2-Butanone, 4-dimethylamino-3-hydroxyimino-
CID 6741635
2-Butanone, 4-(N,N,N-diethylmethylammonio)-3-hydroxyimino-, iodide-
CID 57353275
(3E)-4-(diethylamino)-3-hydroxyiminobutan-2-one
CID 6399238
diethyl-[(2Z)-2-hydroxyimino-3-oxobutyl]-methylazanium
CID 9570803
(Z)-2-(hydroxyimino)-N,N,N-trimethyl-3-oxobutan-1-aminium iodide
CID 17190169
(3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one
CID 126475998
[(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide
CID 126476017
(3Z)-4-(diethylamino)-3-hydroxyiminobutan-2-one
CID 6857930

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride?
The IUPAC name of (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride (CID 10442310) is (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride.
What is the SMILES notation for (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride?
The canonical SMILES for (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride is CC(=O)/C(CN(C)C)=N\O.Cl.
What is the InChIKey of (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride?
The InChIKey is OSLZTCJHQUDKNL-NAFXZHHSSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c1-5(9)6(7-10)4-8(2)3;/h10H,4H2,1-3H3;1H/b7-6-;.
What are the key properties of (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride?
(3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(dimethylamino)-3-hydroxyiminobutan-2-one;hydrochloride is sourced from PubChem (CID 10442310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).